| SpectraBase Compound ID | LDcVCkWlEjY |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-6-9-10-11-15-26-19(22)21(7-2,8-3)20(23)27-18-16(24-4)13-12-14-17(18)25-5/h12-14H,6-11,15H2,1-5H3 |
| InChIKey | SDKCPEGTXPMWRU-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2eUsNaC1ZZl |
|---|---|
| Name | Diethylmalonic acid, 2,6-dimethoxyphenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.219888744 u |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-6-9-10-11-15-26-19(22)21(7-2,8-3)20(23)27-18-16(24-4)13-12-14-17(18)25-5/h12-14H,6-11,15H2,1-5H3 |
| InChIKey | SDKCPEGTXPMWRU-UHFFFAOYSA-N |
| Molecular Weight | 380.481 g/mol |
| SMILES | CCCCCCOC(C(C(OC1=C(C=CC=C1OC)OC)=O)(CC)CC)=O |